CID 9582

4,4'-difluorobenzophenone

Structural Information

Molecular Formula
C13H8F2O
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)F
InChI
InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
LSQARZALBDFYQZ-UHFFFAOYSA-N
Compound name
bis(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9
References

8257
Patents

218.05432 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.061596 142.6
[M+Na]+ 241.043538 151.7
[M-H]- 217.047044 147.2
[M+NH4]+ 236.088143 160.9
[M+K]+ 257.017478 147.5
[M+H-H2O]+ 201.051580 134.0
[M+HCOO]- 263.052521 164.6
[M+CH3COO]- 277.068171 188.8
[M+Na-2H]- 239.028986 147.4
[M]+ 218.05377142 140.0
[M]- 218.05486858 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe